CID 131392364

2-[3-(methoxymethyl)piperidin-3-yl]acetonitrile hydrochloride

Structural Information

Molecular Formula
C9H16N2O
SMILES
COCC1(CCCNC1)CC#N
InChI
InChI=1S/C9H16N2O/c1-12-8-9(4-5-10)3-2-6-11-7-9/h11H,2-4,6-8H2,1H3
InChIKey
GZWFKQWSMSUXJD-UHFFFAOYSA-N
Compound name
2-[3-(methoxymethyl)piperidin-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 135.3
[M+Na]+ 191.11549 142.7
[M-H]- 167.11899 135.5
[M+NH4]+ 186.16009 153.6
[M+K]+ 207.08943 139.6
[M+H-H2O]+ 151.12353 123.2
[M+HCOO]- 213.12447 150.2
[M+CH3COO]- 227.14012 188.1
[M+Na-2H]- 189.10094 141.3
[M]+ 168.12572 126.9
[M]- 168.12682 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.